2-methoxy-5-[2-(3-methylthiophen-2-yl)-1H-imidazol-1-yl]pyridine

• ChemBase ID: 367173
• Molecular Formular: C14H13N3OS
• Molecular Mass: 271.33752
• Monoisotopic Mass: 271.07793305
• SMILES: c1(n(c2cnc(cc2)OC)ccn1)c1c(ccs1)C
• Canonical SMILES: COc1ccc(cn1)n1ccnc1c1sccc1C
• InChI: InChI=1S/C14H13N3OS/c1-10-5-8-19-13(10)14-15-6-7-17(14)11-3-4-12(18-2)16-9-11/h3-9H,1-2H3
• InChIKey: PBHMZMXLZPEJEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-[2-(3-methylthiophen-2-yl)-1H-imidazol-1-yl]pyridine
• IUPAC Traditional name: 2-methoxy-5-[2-(3-methylthiophen-2-yl)imidazol-1-yl]pyridine
• Synonyms: 2-methoxy-5-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1158938
• LogD (pH = 7.4): 3.2684362
• Log P: 3.2708638
• Molar Refractivity: 95.6589 cm^3
• Polarizability: 29.7259 Å^3
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.59
• LOG S: -4.25
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 3